4-(cyclohexylmethoxy)aniline

• ChemBase ID: 20104
• Molecular Formular: C13H19NO
• Molecular Mass: 205.29606
• Monoisotopic Mass: 205.14666423
• SMILES: O(c1ccc(N)cc1)CC1CCCCC1
• Canonical SMILES: Nc1ccc(cc1)OCC1CCCCC1
• InChI: InChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,14H2
• InChIKey: DRHKVTPDSILGSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohexylmethoxy)aniline
• IUPAC Traditional name: 4-(cyclohexylmethoxy)aniline
• Synonyms: 4-(Cyclohexylmethoxy)aniline

Database IDs

• MDL Number: MFCD08687495
• PubChem SID: 160983411
• PubChem CID: 15681651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.952733
• LogD (pH = 7.4): 3.0987089
• Log P: 3.100932
• Molar Refractivity: 62.9666 cm^3
• Polarizability: 24.318594 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53 - 55°C
• Hydrophobicity(logP): 3.654

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%